[Pw_forum] plotrho.x error

Maryam Jamali jamali at dena.kntu.ac.ir
Thu Mar 10 09:03:28 CET 2011


Dear all,
 
There are 155 atoms in my system. I want to calculate charge density, I runned pw.x and pp.x program without any problem and I got file.dat for charge density. when I running plotrho.x program, I got the following error:
 
Error: too many atoms ( 155, max: 130)
 
thankyou for any suggestions to plot charge.
 
the input files for pp.x:
 
 &inputpp
    prefix  = 'scf51'
    outdir = './'
    filplot = 'file1'
    plot_num= 0
 /
 &plot
    nfile = 1
    filepp(1) = 'file1'
    weight(1) = 1.0
    iflag = 2
    output_format = 2
    fileout = 'file1.dat'
    e1(1) =1.0, e1(2)=0.0, e1(3) = 0.0,
    e2(1) =0.0, e2(2)=0.5, e2(3) = 0.0,
    x0(1) =-0.29166666, x0(2)=0.0, x0(3)=0.0275
    nx=60, ny=60
 /

and for plotrho.x:
 
file1.dat
file1.ps
0.01 0.5 10


thank you in advance
 
maryam jamali
Ph.D student of physical chemistry
K.N.T university of technology, tehran



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